N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C15H24F3N3O3 — CID 134269842

IUPACN-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(=O)[C@@H](NC(=O)N1CCN(CC(F)(F)F)CC1)C1CCOCC1
InChIInChI=1S/C15H24F3N3O3/c1-11(22)13(12-2-8-24-9-3-12)19-14(23)21-6-4-20(5-7-21)10-15(16,17)18/h12-13H,2-10H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyDGYKKMPKKZNFKY-CYBMUJFWSA-N
MW351.37 g/mol
LogP1.26
Rot. Bonds4

About N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 134269842) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID134269842
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC NameN-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESCC(=O)[C@@H](NC(=O)N1CCN(CC(F)(F)F)CC1)C1CCOCC1
InChIInChI=1S/C15H24F3N3O3/c1-11(22)13(12-2-8-24-9-3-12)19-14(23)21-6-4-20(5-7-21)10-15(16,17)18/h12-13H,2-10H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyDGYKKMPKKZNFKY-CYBMUJFWSA-N
XLogP1.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 134269842) is N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is CC(=O)[C@@H](NC(=O)N1CCN(CC(F)(F)F)CC1)C1CCOCC1.
What is the InChIKey of N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is DGYKKMPKKZNFKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-11(22)13(12-2-8-24-9-3-12)19-14(23)21-6-4-20(5-7-21)10-15(16,17)18/h12-13H,2-10H2,1H3,(H,19,23)/t13-/m1/s1.
What are the key properties of N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(oxan-4-yl)-2-oxopropyl]-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 134269842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).